2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide

C27H32N2O2 — CID 2552725

IUPAC2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H32N2O2/c1-27(2,3)23-12-10-21(11-13-23)18-29(4)19-26(30)28-24-14-16-25(17-15-24)31-20-22-8-6-5-7-9-22/h5-17H,18-20H2,1-4H3,(H,28,30)
InChIKeyOWNLSQGHVJGQCZ-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.63
Rot. Bonds8

About 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide

2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 2552725) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID2552725
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H32N2O2/c1-27(2,3)23-12-10-21(11-13-23)18-29(4)19-26(30)28-24-14-16-25(17-15-24)31-20-22-8-6-5-7-9-22/h5-17H,18-20H2,1-4H3,(H,28,30)
InChIKeyOWNLSQGHVJGQCZ-UHFFFAOYSA-N
XLogP5.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 9058399
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
2-[[4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl]methyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 167903473
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(N-methylanilino)acetamide
CID 109007233
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide (CID 2552725) is 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide is CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is OWNLSQGHVJGQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-27(2,3)23-12-10-21(11-13-23)18-29(4)19-26(30)28-24-14-16-25(17-15-24)31-20-22-8-6-5-7-9-22/h5-17H,18-20H2,1-4H3,(H,28,30).
What are the key properties of 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 2552725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).